1-amino-3-(5-tert-butyl-2-methylphenyl)propan-2-ol

C14H23NO — CID 116859137

IUPAC1-amino-3-(5-tert-butyl-2-methylphenyl)propan-2-ol
SMILESCc1ccc(C(C)(C)C)cc1CC(O)CN
InChIInChI=1S/C14H23NO/c1-10-5-6-12(14(2,3)4)7-11(10)8-13(16)9-15/h5-7,13,16H,8-9,15H2,1-4H3
InChIKeyHKMBCEYAWHFVFH-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.15
Rot. Bonds3

About 1-amino-3-(5-tert-butyl-2-methylphenyl)propan-2-ol

1-amino-3-(5-tert-butyl-2-methylphenyl)propan-2-ol (PubChem CID 116859137) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-amino-3-(5-tert-butyl-2-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(5-tert-butyl-2-methylphenyl)propan-2-ol
PubChem CID116859137
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-amino-3-(5-tert-butyl-2-methylphenyl)propan-2-ol
SMILESCc1ccc(C(C)(C)C)cc1CC(O)CN
InChIInChI=1S/C14H23NO/c1-10-5-6-12(14(2,3)4)7-11(10)8-13(16)9-15/h5-7,13,16H,8-9,15H2,1-4H3
InChIKeyHKMBCEYAWHFVFH-UHFFFAOYSA-N
XLogP2.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-amino-3-(5-tert-butyl-2-methylphenyl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-3-(4-tert-butyl-2-methylphenyl)propan-2-ol
CID 116859183
2-N-[(5-tert-butyl-2-methylphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 117039981
4-tert-butyl-1-methyl-2-(2-methylbut-3-ynyl)benzene
CID 83935377
3-N-[(5-tert-butyl-2-methylphenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119824
4-amino-1-(5-tert-butyl-2-methylphenyl)pentan-3-ol
CID 83935409
1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine
CID 82125631
4-tert-butyl-2-(chloromethyl)-1-methylbenzene
CID 524344
2-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040108
N'-[(5-tert-butyl-2-methylphenyl)methyl]-2-ethylpropane-1,3-diamine
CID 115251439
1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]propan-2-amine
CID 117299446
3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol
CID 82048901
1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372779

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(5-tert-butyl-2-methylphenyl)propan-2-ol?
The IUPAC name of 1-amino-3-(5-tert-butyl-2-methylphenyl)propan-2-ol (CID 116859137) is 1-amino-3-(5-tert-butyl-2-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(5-tert-butyl-2-methylphenyl)propan-2-ol?
The canonical SMILES for 1-amino-3-(5-tert-butyl-2-methylphenyl)propan-2-ol is Cc1ccc(C(C)(C)C)cc1CC(O)CN.
What is the InChIKey of 1-amino-3-(5-tert-butyl-2-methylphenyl)propan-2-ol?
The InChIKey is HKMBCEYAWHFVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-5-6-12(14(2,3)4)7-11(10)8-13(16)9-15/h5-7,13,16H,8-9,15H2,1-4H3.
What are the key properties of 1-amino-3-(5-tert-butyl-2-methylphenyl)propan-2-ol?
1-amino-3-(5-tert-butyl-2-methylphenyl)propan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(5-tert-butyl-2-methylphenyl)propan-2-ol is sourced from PubChem (CID 116859137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).